[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl] carbamimidothioate

Systemtic Name: [1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl] carbamimidothioate Openeye Name: 2-[1-[2-oxo-2-(1-piperidyl)ethyl]indol-3-yl]isothiourea CAS Name: carbamimidothioic acid [1-[2-oxo-2-(1-piperidinyl)ethyl]-3-indolyl] ester IUPAC Name: [1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl] carbamimidothioate Traditional Name: 2-[1-(2-keto-2-piperidino-ethyl)indol-3-yl]isothiourea Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SC(=N)N

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SC(=N)N

InChI

InChI=1S/C16H20N4OS/c17-16(18)22-14-10-20(13-7-3-2-6-12(13)14)11-15(21)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9,11H2,(H3,17,18)